2-[2-ethyl-4-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-3H-pyrazol-4-yl]quinoline

Systemtic Name: 2-[2-ethyl-4-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-3H-pyrazol-4-yl]quinoline Openeye Name: 2-[2-ethyl-4-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-3H-pyrazol-4-yl]quinoline CAS Name: 2-[2-ethyl-4-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-3H-pyrazol-4-yl]quinoline IUPAC Name: 2-[2-ethyl-4-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-3H-pyrazol-4-yl]quinoline Traditional Name: 2-[1-ethyl-4-(3-mesylphenyl)-5-(trifluoromethyl)-2-pyrazolin-4-yl]quinoline Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C=N1)(C2=CC(=CC=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

CCN1C(C(C=N1)(C2=CC(=CC=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c1-3-28-20(22(23,24)25)21(14-26-28,16-8-6-9-17(13-16)31(2,29)30)19-12-11-15-7-4-5-10-18(15)27-19/h4-14,20H,3H2,1-2H3